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ASINEX-ZINC00826790

 MMsINC code: MMs00183386
Type: Neutral
Formula: C22H26Cl2N2O6S3
SMILES:   Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2)cc1S(=O)(=O
)N1CCCCC1
InChI:   InChI=1/C22H26Cl2N2O6S3/c23-19-9-7-17(15-21(19)34(29,30)25-11-3-1-4-12-25)33(27,28)18-8-10-20(24)22(16-18)35(31,32)26-13-5-2-6-14-26/h7-10,15-16H,1-6,11-14H2

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Potential Energy
Epot(MMFF94)=69.8953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 581.562 g/mol  logS: -6.15343  SlogP: 4.1754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154927  Sterimol/B1: 3.16791  Sterimol/B2: 3.94173  Sterimol/B3: 7.46603
  Sterimol/B4: 7.78977  Sterimol/L: 16.8544 
 
 Surface and Volume Properties
  Accessible surface: 760.403  Positive charged surface: 402.957  Negative charged surface: 357.446  Volume: 465.25
  Hydrophobic surface: 601.333  Hydrophilic surface: 159.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.